CID 9556433

Papaveraldine o-(n-(2-morpholinoethyl)carbaniloylmethyl)oxime dihydrochloride

Structural Information

Molecular Formula
C34H38N4O7
SMILES
COC1=C(C=C(C=C1)/C(=N\OCC(=O)N(CCN2CCOCC2)C3=CC=CC=C3)/C4=NC=CC5=CC(=C(C=C54)OC)OC)OC
InChI
InChI=1S/C34H38N4O7/c1-40-28-11-10-25(21-29(28)41-2)33(34-27-22-31(43-4)30(42-3)20-24(27)12-13-35-34)36-45-23-32(39)38(26-8-6-5-7-9-26)15-14-37-16-18-44-19-17-37/h5-13,20-22H,14-19,23H2,1-4H3/b36-33+
InChIKey
TWIWQTABCNETHB-PKUSAGTQSA-N
Compound name
2-[(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxy-N-(2-morpholin-4-ylethyl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.27405 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.28133 248.4
[M+Na]+ 637.26327 247.8
[M-H]- 613.26677 259.7
[M+NH4]+ 632.30787 245.4
[M+K]+ 653.23721 247.6
[M+H-H2O]+ 597.27131 231.8
[M+HCOO]- 659.27225 262.6
[M+CH3COO]- 673.28790 271.9
[M+Na-2H]- 635.24872 247.6
[M]+ 614.27350 254.2
[M]- 614.27460 254.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.